Linear hexanuclear helical dysprosium single-molecule magnets: the effect of axial substitution on magnetic interactions and relaxation dynamics

2019 ◽  
Vol 48 (37) ◽  
pp. 14062-14068 ◽  
Author(s):  
Jingjing Lu ◽  
Xiao-Lei Li ◽  
Zhenhua Zhu ◽  
Shuting Liu ◽  
Qianqian Yang ◽  
...  
Keyword(s):  
Single Molecule ◽  
Magnetic Relaxation ◽  
Structural Modification ◽  
Relaxation Behavior ◽  
Magnetic Interactions ◽  
Relaxation Dynamics ◽  
Single Molecule Magnets

Structural modification of the Dy6 cores of [Dy6L3(SCN)6(DMF)8]·4DMF (1) and [Dy6L3(NO3)6(DMF)4(H2O)2]·8DMF (2) results in the transition of magnetic relaxation behavior from single relaxation to multiple relaxation.

scholarly journals Ab Initio Prediction of High-Temperature Magnetic Relaxation Rates in Single-Molecule Magnets

2021 ◽  
Author(s):  
Daniel Reta ◽  
Jon G. C. Kragskow ◽  
Nicholas Chilton
Keyword(s):  
High Temperature ◽  
Ab Initio ◽  
Single Molecule ◽  
Magnetic Relaxation ◽  
Quantitative Prediction ◽  
Relaxation Dynamics ◽  
Efficient Design ◽  
Relaxation Rates ◽  
Design Strategies ◽  
Single Molecule Magnets

<p>Organometallic molecules based on [Dy(Cp<sup>R</sup>)<sub>2</sub>]<sup>+</sup> cations have emerged as clear front-runners in the search for high-temperature single-molecule magnets. However, despite a growing family of structurally-similar molecules, these molecules show significant variations in their magnetic properties, demonstrating the importance of understanding magneto-structural relationships towards developing more efficient design strategies. Here we refine our <i>ab initio</i> spin dynamics methodology and show that it is capable of quantitative prediction of relative relaxation rates in the Orbach region. Applying it to all reported [Dy(Cp<sup>R</sup>)<sub>2</sub>]<sup>+</sup> cations allows us to tease out differences in their relaxation dynamics, highlighting that the main discriminant is the magnitude of the crystal field splitting. We subsequently employ the method to predict relaxation rates for a series of hypothetical organometallic sandwich compounds, revealing an upper limit to the effective barrier to magnetic relaxation of around 2200 K, which has been reached. However, we show that further improvements to single-molecule magnets can be made by moving vibrational modes off-resonance with electronic excitations.</p>

scholarly journals Relationship between the Coordination Geometry and Spin Dynamics of Dysprosium(III) Heteroleptic Triple-Decker Complexes

2019 ◽  
Vol 5 (4) ◽  
pp. 65 ◽  
Author(s):  
Tetsu Sato ◽  
Satoshi Matsuzawa ◽  
Keiichi Katoh ◽  
Brian K. Breedlove ◽  
Masahiro Yamashita
Keyword(s):  
Single Molecule ◽  
Magnetic Relaxation ◽  
Spin Dynamics ◽  
Twist Angle ◽  
Magnetic Interactions ◽  
Relaxation Processes ◽  
Coordination Geometry ◽  
Single Molecule Magnets ◽  
Spin Lattice ◽  
The Relationship

When using single molecule magnets (SMMs) in spintronics devices, controlling the quantum tunneling of the magnetization (QTM) and spin-lattice interactions is important. To improve the functionality of SMMs, researchers have explored the effects of changing the coordination geometry of SMMs and the magnetic interactions between them. Here, we report on the effects of the octa-coordination geometry on the magnetic relaxation processes of dinuclear dysprosium(III) complexes in the low-temperature region. Mixed ligand dinuclear Dy3+ triple-decker complexes [(TPP)Dy(Pc)Dy(TPP)] (1), which have crystallographically equivalent Dy3+ ions, and [(Pc)Dy(Pc)Dy(TPP)] (2), which have non-equivalent Dy3+ ions, (Pc2− = phthalocyaninato; TPP2− = tetraphenylporphyrinato), undergo dual magnetic relaxation processes. This is due to the differences in the ground states due to the twist angle (φ) between the ligands. The relationship between the off-diagonal terms and the dual magnetic relaxation processes that appears due to a deviation from D4h symmetry is discussed.

scholarly journals Tetranuclear dysprosium single-molecule magnets: tunable magnetic interactions and magnetization dynamics through modifying coordination number

2019 ◽  
Vol 48 (6) ◽  
pp. 2135-2141 ◽  
Author(s):  
Kun Zhang ◽  
Gao-Peng Li ◽  
Vincent Montigaud ◽  
Olivier Cador ◽  
Boris Le Guennic ◽  
...  
Keyword(s):  
Coordination Number ◽  
Single Molecule ◽  
Magnetic Interactions ◽  
Relaxation Dynamics ◽  
Magnetization Dynamics ◽  
Single Molecule Magnets ◽  
Coordination Environment ◽  
Coordination Sites ◽  
Fine Control

The magnetic interactions and relaxation dynamics are modulated in two polynuclear dysprosium(iii) SMMs through a fine control of the coordination environment on the changeable coordination sites.

DyIII single-molecule magnets from ligands incorporating both amine and acylhydrazine Schiff base groups: the centrosymmetric {Dy2} displaying dual magnetic relaxation behaviors

2020 ◽  
Vol 49 (44) ◽  
pp. 15739-15749
Author(s):  
Sen-Da Su ◽  
Jia-Xin Li ◽  
Fan Xu ◽  
Chen-Xiao Wang ◽  
Kai Wang ◽  
...  
Keyword(s):  
Schiff Base ◽  
Single Molecule ◽  
Magnetic Relaxation ◽  
Magnetic Interactions ◽  
Single Molecule Magnets

Using ligands incorporating both amine and acylhydrazine Schiff base groups, two {Dy2} and a {Dy6} SMMs are synthesized. Two {Dy2} show dual magnetic relaxation behaviors, which could be ascribed to the joint contributions of single ion anisotropy and magnetic interactions.

scholarly journals Ab Initio Prediction of High-Temperature Magnetic Relaxation Rates in Single-Molecule Magnets

2021 ◽  
Author(s):  
Daniel Reta ◽  
Jon G. C. Kragskow ◽  
Nicholas Chilton
Keyword(s):  
High Temperature ◽  
Ab Initio ◽  
Single Molecule ◽  
Magnetic Relaxation ◽  
Quantitative Prediction ◽  
Relaxation Dynamics ◽  
Efficient Design ◽  
Relaxation Rates ◽  
Design Strategies ◽  
Single Molecule Magnets

<p>Organometallic molecules based on [Dy(Cp<sup>R</sup>)<sub>2</sub>]<sup>+</sup> cations have emerged as clear front-runners in the search for high-temperature single-molecule magnets. However, despite a growing family of structurally-similar molecules, these molecules show significant variations in their magnetic properties, demonstrating the importance of understanding magneto-structural relationships towards developing more efficient design strategies. Here we refine our <i>ab initio</i> spin dynamics methodology and show that it is capable of quantitative prediction of relative relaxation rates in the Orbach region. Applying it to all reported [Dy(Cp<sup>R</sup>)<sub>2</sub>]<sup>+</sup> cations allows us to tease out differences in their relaxation dynamics, highlighting that the main discriminant is the magnitude of the crystal field splitting. We subsequently employ the method to predict relaxation rates for a series of hypothetical organometallic sandwich compounds, revealing an upper limit to the effective barrier to magnetic relaxation of around 2200 K, which has been reached. However, we show that further improvements to single-molecule magnets can be made by moving vibrational modes off-resonance with electronic excitations.</p>

Tuning the Magnetic Interactions and Relaxation Dynamics of Dy 2 Single‐Molecule Magnets

2015 ◽  
Vol 21 (40) ◽  
pp. 14099-14106 ◽  
Author(s):  
Shufang Xue ◽  
Yun‐Nan Guo ◽  
Liviu Ungur ◽  
Jinkui Tang ◽  
Liviu F. Chibotaru
Keyword(s):  
Single Molecule ◽  
Magnetic Interactions ◽  
Relaxation Dynamics ◽  
Single Molecule Magnets

Cu(ii)–Dy(iii) and Co(iii)–Dy(iii) based single molecule magnets with multiple slow magnetic relaxation processes in the Cu(ii)–Dy(iii) complex

2015 ◽  
Vol 44 (29) ◽  
pp. 13242-13249 ◽  
Author(s):  
Malay Dolai ◽  
Mahammad Ali ◽  
Ján Titiš ◽  
Roman Boča
Keyword(s):  
Schiff Base ◽  
Single Molecule ◽  
Schiff Base Ligand ◽  
Magnetic Relaxation ◽  
Magnetic Behaviour ◽  
Dinuclear Complexes ◽  
Relaxation Processes ◽  
Single Molecule Magnets ◽  
Slow Magnetic Relaxation

Two CuII–DyIII and CoIII–DyIII dinuclear complexes of a Schiff base ligand (H3L) exhibit single-molecule magnetic behaviour with multiple slow magnetic relaxation processes for the former.

Structural anisotropy of cyanido-bridged {CoII9WV6} single-molecule magnets induced by bidentate ligands: towards the rational enhancement of an energy barrier

2016 ◽  
Vol 52 (26) ◽  
pp. 4772-4775 ◽  
Author(s):  
Szymon Chorazy ◽  
Michał Rams ◽  
Anna Hoczek ◽  
Bernard Czarnecki ◽  
Barbara Sieklucka ◽  
...  
Keyword(s):  
Single Molecule ◽  
Energy Barrier ◽  
Magnetic Relaxation ◽  
Bidentate Ligands ◽  
Single Molecule Magnets ◽  
Structural Anisotropy ◽  
Slow Magnetic Relaxation

{CoII9[WV(CN)8]6} clusters capped by odd and even number of bidentate ligands reveal the improved slow magnetic relaxation due to the significant structural anisotropy.

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